F1806-0084
TL;DR: F1806-0084 (CAS 868221-79-8) is a chemical compound with molecular formula C17H18ClN5S2 and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
Also Known As: F1806-0084, 2-(((5-(sec-butylthio)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine, 2-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine, 2-({[5-(butan-2-ylsulfanyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine
| Molecular Formula | C17H18ClN5S2 |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 4.8936 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.0692 |
| Heavy Atoms | 25 |
| Complexity | 807.66534 |
Chemical Identifiers
| CAS Number | 868221-79-8 |
|---|---|
| SMILES | CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)Cl)CSC3=NC=CC=N3 |
Product Overview
F1806-0084 (CAS 868221-79-8), with molecular formula C17H18ClN5S2 and molecular weight 391.07 g/mol. IUPAC: 2-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of F1806-0084
Property Insights of F1806-0084
The XLogP value of 4.8936 indicates that F1806-0084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, F1806-0084 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1806-0084 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1806-0084?
The CAS number of F1806-0084 is 868221-79-8.
What is the molecular formula of F1806-0084?
The molecular formula of F1806-0084 is C17H18ClN5S2.
What is the molecular weight of F1806-0084?
The molecular weight of F1806-0084 is 391.07 g/mol.
Where can I buy F1806-0084?
You can request a quote for F1806-0084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1806-0084?
Yes, KEHONG BIO provides custom synthesis services for F1806-0084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.